CID 6886842

2-(1,3-benzothiazol-2-ylthio)n'-((9-et-9h-carbazol-3-yl)methylene)acetohydrazide

Structural Information

Molecular Formula
C24H20N4OS2
SMILES
CCN1C2=C(C=C(C=C2)/C=N/NC(=O)CSC3=NC4=CC=CC=C4S3)C5=CC=CC=C51
InChI
InChI=1S/C24H20N4OS2/c1-2-28-20-9-5-3-7-17(20)18-13-16(11-12-21(18)28)14-25-27-23(29)15-30-24-26-19-8-4-6-10-22(19)31-24/h3-14H,2,15H2,1H3,(H,27,29)/b25-14+
InChIKey
WCVUQQOGSSGWQC-AFUMVMLFSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.10785 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.11513 202.0
[M+Na]+ 467.09707 213.9
[M-H]- 443.10057 211.1
[M+NH4]+ 462.14167 217.0
[M+K]+ 483.07101 205.9
[M+H-H2O]+ 427.10511 195.3
[M+HCOO]- 489.10605 217.4
[M+CH3COO]- 503.12170 212.4
[M+Na-2H]- 465.08252 205.3
[M]+ 444.10730 211.9
[M]- 444.10840 211.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.